SCHEMBL23536675

SCHEMBL23536675

Cc1ccc(S(=O)(=O)n2nc(N3CC4CCC(C3)N4c3ccc(Cl)cn3)c3ncccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
GPR119 Q8TDV5 1/20 0.36
PDE4A P27815 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
ALDH3A1 P30838 1/20 0.32
NOD1 Q9Y239 1/20 0.32
SLC9A1 P19634 1/20 0.32
RORC P51449 1/20 0.32
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23536536 0.66 HSD11B1 (0.40) HSD11B1PDE4AALDH1A1MAPTHTT
SCHEMBL23536626 0.66 HSD11B1 (0.46) HSD11B1ALDH1A1HTTSMN1; SMN2GBA1
SCHEMBL31713550 0.66 GAA (0.40) HSD11B1GPR119L3MBTL1ALDH1A1MAPT
SCHEMBL31190677 0.64 HSD11B1 (0.42) HSD11B1MAPTPOLBSLC9A1
SCHEMBL31190587 0.64 HSD11B1 (0.42) HSD11B1MAPTPOLBSLC9A1
SCHEMBL31713426 0.64 HSD11B1 (0.41) HSD11B1GPR119ALDH1A1HTTPOLB
SCHEMBL23570345 0.64 ALDH1A1 (0.44) HSD11B1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL22578963 0.64 DRD4 (0.43) GPR119MAPTSMN1; SMN2PDE10A
SCHEMBL23536541 0.63 RORC (0.37) HSD11B1PDE4AMAPTRORC
SCHEMBL23570175 0.63 HTR6 (0.63)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed